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The Python package for the uFJC single-chain model.

Project description

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The Python package for the uFJC single-chain model.

Installation

The package can be installed using pip via the Python Package Index (PyPI),

pip install ufjc

or using conda via the mrbuche channel on Anaconda,

conda install --channel mrbuche ufjc

Alternatively, a branch can be directly installed using

pip install git+https://github.com/sandialabs/ufjc.git@<branch-name>

or after cloning a branch and executing python setup.py install. There are also Docker images available for use. In all of these cases, a valid installation can be tested by running

python -m ufjc.tests

Information

Citation

M. R. Buche and S. J. Grutzik, uFJC: the Python package for the uFJC single-chain model, Zenodo (2022).

M. R. Buche, M. N. Silberstein, and S. J. Grutzik, Freely jointed chain models with extensible links, Physical Review E 106, 024502 (2022).

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